Research Article: Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-sulfanyl­idene-4-trifluoro­methyl-1,3-diazinane-5-carboxyl­ate

Date Published: March 01, 2012

Publisher: International Union of Crystallography

Author(s): Bao-Jun Huang, Lei Zhu, Qin He.


In the title compound, C14H14F4N2O3S, the hexa­hydro­pyrimidine ring adopts a half-chair conformation. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features O—H⋯S and N—H⋯S hydrogen bonds.

Partial Text

For the bioactivity of dihydro­pyrimidines, see: Atwal et al. (1989 ▶); Kappe et al. (1997 ▶); Brier et al. (2004 ▶); Cochran et al. (2005 ▶). For the bioactivity of organofluorine compounds, see: Konz (1997 ▶); Hass (2004 ▶). For a related structure, see: Li et al. (2011 ▶).